SCHEMBL8058775

SCHEMBL8058775

COc1cccc(CCN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCNC(=N)N)C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44
SIGMAR1 Q99720 1/20 0.40
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9199621 0.95 MTNR1A (0.44) MTNR1AMTNR1BSIGMAR1KMT2ATDP1
SCHEMBL9199630 0.95 MTNR1A (0.44) MTNR1AMTNR1BSIGMAR1KMT2ATDP1
SCHEMBL8058871 0.90 ALDH1A1 (0.42) KMT2ATDP1
SCHEMBL8068125 0.89 FOLH1 (0.42) MTNR1AMTNR1BSIGMAR1KMT2A
SCHEMBL1388287 0.88 CNR1 (0.45)
SCHEMBL8068235 0.86 MTNR1A (0.40) MTNR1AMTNR1BKMT2ATDP1
SCHEMBL9200553 0.86 MTNR1A (0.41) MTNR1AMTNR1BSIGMAR1TDP1
SCHEMBL9200548 0.86 MTNR1A (0.41) MTNR1AMTNR1BSIGMAR1TDP1
SCHEMBL8069613 0.86 PLAAT3 (0.38)
SCHEMBL9194825 0.85 ALDH1A1 (0.42) KMT2ATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017672-A1 NEW NPY ANTAGONISTS AstraZeneca AB (SE) 2000-07-12 EP disclosed
WO-1999015498-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 1999-04-01 WO disclosed